Hordenine sulfate

C10H17NO5SCAS 622-64-0263.31 g/mol

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NOHOSOOHHO
PhenolTertiary amine

Properties

Molecular formula
C10H17NO5S
Molar mass
263.31 g/mol
Exact mass
263.0827 Da
Melting point
207–208 °C
logP
0.84Crippen estimate
Polar surface area
98.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
622-64-0
SMILES
CN(C)CCc1ccc(O)cc1.O=S(=O)(O)O
InChIKey
OIIQUBZPQJNHQK-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO.H2O4S/c1-11(2)8-7-9-3-5-10(12)6-4-9;1-5(2,3)4/h3-6,12H,7-8H2,1-2H3;(H2,1,2,3,4)

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Names and synonyms

6 names
  • Phenol, 4-[2-(dimethylamino)ethyl]-, sulfate (2:1) (salt)
  • Phenol, p-[2-(dimethylamino)ethyl]-, sulfate (2:1) (salt)
  • Anhaline sulfate
  • Hordenine sulphate
  • p-Hydroxy-N,N-dimethylphenethylamine sulfate
  • Peyocactine sulfate

Work with Hordenine sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hordenine539-15-1Free base Hordenine hydrochloride6027-23-2Salt

Similar compounds

Metol55-55-047 % similar p-Aminophenol sulfate63084-98-047 % similar N,N-Dimethylphenethylamine hydrochloride10275-21-541 % similar 4-Propylphenol645-56-740 % similar N,N-Dimethylanilinium hydrogen sulfate58888-49-638 % similar 4-Butylphenol1638-22-838 % similar Raspberry ketone5471-51-238 % similar 4-Ethylphenol123-07-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-Ephedrine sulfate134-72-5 Etamsylate2624-44-4

Elsewhere

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